Hydrochloric Acid → Pyrimidine-5-carboxylic acid {4-[4-(2-tert-butyl-6-cyclobutyl-pyrimidin-4-yl)-piperazin-1-yl]-butyl}-amide

HRID 188115

Reaction equation

HRID 188115 reaction equation
[C:10]([CH3:11])([CH3:12])([CH3:13])[c:14]1[n:15][c:16]([CH:31]2[CH2:32][CH2:33][CH2:34]2)[cH:17][c:18]([N:20]2[CH2:21][CH2:22][N:23]([CH2:26][CH2:27][CH2:28][CH2:29][NH2:30])[CH2:24][CH2:25]2)[n:19]1.[CH2:55]([N:56]=[C:57]=[N:58][CH2:59][CH2:60][CH2:61][N:62]([CH3:63])[CH3:64])[CH3:65].[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[Cl:66][CH2:67][Cl:68].[ClH:54].[OH:44][c:45]1[c:46]2[n:47][n:48][nH:49][c:50]2[cH:51][cH:52][cH:53]1.[n:1]1[cH:2][n:3][cH:4][c:5]([C:7](=[O:8])[OH:9])[cH:6]1>>[n:1]1[cH:2][n:3][cH:4][c:5]([C:7](=[O:9])[NH:30][CH2:29][CH2:28][CH2:27][CH2:26][N:23]2[CH2:22][CH2:21][N:20]([c:18]3[cH:17][c:16]([CH:31]4[CH2:32][CH2:33][CH2:34]4)[n:15][c:14]([C:10]([CH3:11])([CH3:12])[CH3:13])[n:19]3)[CH2:25][CH2:24]2)[cH:6]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 78346Pyrimidine-5-carboxylic acidHCID 81531DiisopropylethylamineHCID 690260674-[4-(2-tert-Butyl-6-cyclobutyl-pyrimidin-4-yl)piperazin-1-yl]-butylamineHCID 178418300HCID 178418300, compound

Product 1

HCID 86635173Pyrimidine-5-carboxylic acid {4-[4-(2-tert-butyl-6-cyclobutyl-pyrimidin-4-yl)-piperazin-1-yl]-butyl}-amide

Sources & evidence

ORD record
ord-503f5ba702bb4e018fcb6d08feed1483
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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